10967/127 - QDB Compounds

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Bhhatarai, B.; Gramatica, P. Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning. Water Res. 2011, 45, 3, 1463–1471.

Compound

ID:000288-88-0
Name:1H-1,2,4-Triazole
Description:InChI code and name were downloaded from http://cactus.nci.nih.gov
Labels:
CAS:288-88-0
InChi Code:InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)

Properties

logKow: Octanol/water partition coefficient as logKow

ValueSource or prediction
-0.58

experimental value

-1.38

Eq2: Model for octanol/water partition coefficient (Training set)

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